MolProp TK 2.1.1¶
Added several halide that are more strict to the fragment filter.
Added several rules to remove bad ring systems to the fragment filter.
The OEFilter constructor will now
OEThrow.Errorif a duplicate
RULEline is found in the filter file definition.
The proper way to override a
RULE line is to use a
Minor bug fixes¶
Removing duplicate nitroso and phosphoryl filter file RULES from the default filters.